4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine

C11H9N3OS — CID 82105993

IUPAC4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2ocnc2c1
InChIInChI=1S/C11H9N3OS/c1-6-10(14-11(12)16-6)7-2-3-9-8(4-7)13-5-15-9/h2-5H,1H3,(H2,12,14)
InChIKeyBVORTJYRUIWFDI-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.84
Rot. Bonds1

About 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine

4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 82105993) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID82105993
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2ocnc2c1
InChIInChI=1S/C11H9N3OS/c1-6-10(14-11(12)16-6)7-2-3-9-8(4-7)13-5-15-9/h2-5H,1H3,(H2,12,14)
InChIKeyBVORTJYRUIWFDI-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 62326333
4-(1,3-benzoxazol-6-yl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867112
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 113438118
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983675
5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82354876
1-[6-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82354879
4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
CID 82025300
1-[2-(1,3-benzoxazol-6-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884498
5-methyl-4-[4-[3-(3-methylphenoxy)propoxy]phenyl]-1,3-thiazol-2-amine
CID 28857046

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine (CID 82105993) is 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc2ocnc2c1.
What is the InChIKey of 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is BVORTJYRUIWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-10(14-11(12)16-6)7-2-3-9-8(4-7)13-5-15-9/h2-5H,1H3,(H2,12,14).
What are the key properties of 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine?
4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82105993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).